# generated using pymatgen
data_ThSi2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78014684
_cell_length_b   5.78014732
_cell_length_c   5.78014815
_cell_angle_alpha   137.74388374
_cell_angle_beta   137.74389482
_cell_angle_gamma   61.29547425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSi2IrRu
_chemical_formula_sum   'Th1 Si2 Ir1 Ru1'
_cell_volume   86.34441913
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si1  1  0.62853360  0.62853360  0.00000000  1.0
  Si  Si2  1  0.37146640  0.37146640  1.00000000  1.0
  Ir  Ir3  1  0.25000000  0.75000000  0.50000000  1.0
  Ru  Ru4  1  0.75000000  0.25000000  0.50000000  1.0